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5G3

Summary
Name:4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol
Formula:C19 H14 Cl N O3
Formal charge:0
Formula weight:339.772 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol
OpenEye OEToolkits1.9.24-[(E)-N-(2-chlorophenyl)-C-(4-hydroxyphenyl)carbonimidoyl]benzene-1,3-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc3ccc(/C(c1c(cc(cc1)O)O)=N\c2c(Cl)cccc2)cc3
InChIInChI1.03InChI=1S/C19H14ClNO3/c20-16-3-1-2-4-17(16)21-19(12-5-7-13(22)8-6-12)15-10-9-14(23)11-18(15)24/h1-11,22-24H/b21-19+
InChIKeyInChI1.03UIOWBFRSDFQEIM-XUTLUUPISA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(cc1)C(=Nc2ccccc2Cl)c3ccc(O)cc3O
SMILESCACTVS3.385Oc1ccc(cc1)C(=Nc2ccccc2Cl)c3ccc(O)cc3O
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(c(c1)/N=C(\c2ccc(cc2)O)/c3ccc(cc3O)O)Cl
SMILESOpenEye OEToolkits1.9.2c1ccc(c(c1)N=C(c2ccc(cc2)O)c3ccc(cc3O)O)Cl

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PDB entries from 2024-07-10

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